1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one

C10H13NO — CID 168501550

IUPAC1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C10H13NO/c1-2-8-5-10(12)11(6-8)7-9-3-4-9/h1,8-9H,3-7H2
InChIKeySHDAJEPQJZWWQE-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.88
Rot. Bonds2

About 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one

1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one (PubChem CID 168501550) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
PubChem CID168501550
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C10H13NO/c1-2-8-5-10(12)11(6-8)7-9-3-4-9/h1,8-9H,3-7H2
InChIKeySHDAJEPQJZWWQE-UHFFFAOYSA-N
XLogP0.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
CID 168500605
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168501534
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
4-ethynyl-1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-one
CID 168501543
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168501623
1-[(3,5-difluorophenyl)methyl]-4-ethynylpyrrolidin-2-one
CID 168501805
4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
CID 168500421
1-[3-(diethylamino)propyl]-4-ethynylpyrrolidin-2-one
CID 168500476

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one (CID 168501550) is 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one?
The InChIKey is SHDAJEPQJZWWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-5-10(12)11(6-8)7-9-3-4-9/h1,8-9H,3-7H2.
What are the key properties of 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one?
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168501550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).